# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 K C C 139.66 3.87 17.96 22.81 110.38 -153.35 -93.44 118.59 99.84 0.16 0.01 99.53 0.30 0.07 0.00 0.00 0.00 0.08 0.02 1 F C C 100.40 10.29 14.36 25.35 120.51 -119.98 -95.43 141.06 80.02 19.39 0.59 78.33 1.55 0.32 0.44 0.12 0.00 5.12 14.10 2 C C C 18.26 16.64 12.04 29.28 114.35 -112.67 -74.24 141.47 94.19 5.01 0.80 91.18 2.82 0.39 0.67 0.13 0.00 2.16 2.65 3 R H H 123.19 5.29 19.77 25.97 92.41 -128.90 -61.63 -35.21 14.64 0.15 85.21 1.53 2.52 11.25 78.84 5.52 0.18 0.07 0.09 4 F H H 28.64 17.09 14.33 31.63 92.29 53.07 -66.17 -39.12 15.15 0.17 84.69 1.02 1.73 12.74 75.87 8.21 0.25 0.08 0.10 5 T H H 41.60 13.26 14.10 27.64 94.42 46.05 -71.65 -36.95 12.19 0.25 87.55 1.47 1.68 9.13 76.36 10.80 0.29 0.14 0.13 6 A H H 69.77 4.07 15.54 20.77 92.27 59.18 -67.81 -28.03 19.30 0.36 80.34 2.07 2.83 14.80 71.00 8.53 0.37 0.18 0.23 7 E C T 118.54 3.79 14.95 19.77 95.61 50.93 -86.20 -1.16 72.95 0.19 26.86 1.18 3.33 67.93 22.87 4.37 0.04 0.08 0.20 8 G C T 45.88 3.99 16.12 21.21 98.82 -105.34 83.16 13.61 95.99 0.10 3.91 5.98 3.78 86.83 2.31 0.99 0.00 0.06 0.06 9 V C C 35.61 17.01 8.92 25.20 111.90 154.04 -84.81 121.81 89.45 2.39 8.16 83.36 3.19 3.20 2.20 5.57 0.00 1.26 1.21 10 Q C C 131.09 2.80 17.97 21.66 100.24 157.93 -92.37 -19.06 88.17 2.77 9.06 46.86 30.32 10.33 1.47 8.37 0.00 1.62 1.02 11 E C C 120.38 3.62 20.31 24.64 125.87 30.02 -128.45 138.80 80.21 10.27 9.53 55.24 15.13 9.03 1.63 9.11 0.01 6.74 3.11 12 I C C 25.55 22.27 10.63 31.86 120.31 -161.12 -112.31 130.32 90.66 7.89 1.44 86.32 3.90 0.65 0.63 0.76 0.00 4.82 2.91 13 D C C 68.59 5.41 22.05 27.76 109.82 -155.13 -103.34 112.32 97.23 2.21 0.55 96.12 1.19 0.37 0.18 0.21 0.00 1.04 0.89 14 Y C T 60.29 19.11 11.92 30.55 93.77 -165.90 -72.00 -13.97 78.38 0.39 21.23 4.87 6.65 65.22 1.88 20.97 0.00 0.22 0.19 15 K C T 146.41 2.59 17.86 21.14 91.92 65.70 -76.61 -13.88 79.73 0.28 19.99 2.81 7.51 68.07 1.77 19.52 0.00 0.15 0.17 16 D C C 67.49 6.44 15.34 23.34 106.20 70.46 -106.40 89.89 84.83 1.39 13.78 65.98 11.31 6.20 3.03 11.88 0.00 0.55 1.05 17 I H H 62.75 15.64 11.69 27.12 93.61 170.68 -64.05 -35.33 6.23 0.04 93.72 1.90 0.93 3.25 83.45 10.43 0.01 0.02 0.02 18 A H H 72.80 1.98 18.92 20.33 91.63 58.62 -63.54 -38.92 2.65 0.01 97.34 0.18 0.18 2.07 84.21 13.36 0.00 0.01 0.00 19 T H H 44.56 8.34 17.40 27.18 92.45 50.22 -66.47 -39.24 1.77 0.01 98.22 0.13 0.12 1.38 85.08 13.29 0.00 0.01 0.00 20 L H H 6.10 24.59 12.17 36.62 91.66 53.21 -65.55 -37.32 2.27 0.01 97.72 0.24 0.19 1.61 86.42 11.52 0.00 0.01 0.00 21 K H H 111.59 9.48 19.02 29.14 90.89 60.42 -63.62 -31.52 11.68 0.06 88.26 0.59 0.60 9.49 58.69 30.53 0.03 0.03 0.03 22 N H T 107.45 2.70 22.81 25.17 91.56 56.80 -74.30 -19.40 36.38 0.07 63.55 0.70 1.40 34.69 34.48 28.60 0.03 0.04 0.07 23 Y C T 30.91 18.84 16.08 35.11 97.23 47.77 -99.22 -7.69 51.38 0.39 48.22 2.84 4.45 42.93 21.49 27.74 0.04 0.23 0.28 24 I E B 25.49 19.99 13.02 32.85 122.15 87.07 -101.77 140.70 5.44 94.40 0.16 3.04 0.60 0.02 0.16 0.01 0.00 8.96 87.20 25 T C C 43.60 8.17 15.37 25.24 123.52 -134.05 -81.55 171.89 95.01 4.87 0.12 95.53 0.37 0.12 0.04 0.03 0.00 3.01 0.89 26 E C T 162.44 1.52 14.43 16.82 90.13 -92.08 -63.16 -22.45 98.81 0.59 0.60 0.51 3.48 95.09 0.07 0.37 0.00 0.36 0.11 27 S C T 78.46 2.09 17.09 18.95 92.64 56.48 -86.46 -3.12 99.37 0.11 0.51 0.24 3.21 96.04 0.03 0.39 0.00 0.06 0.03 28 G C S 17.57 15.75 12.96 28.79 95.55 -107.26 83.71 7.97 99.46 0.33 0.22 11.01 87.49 1.09 0.02 0.14 0.00 0.13 0.12 29 K C C 99.67 5.18 21.96 28.13 120.24 135.41 -86.84 146.10 93.52 6.40 0.08 74.00 19.72 0.22 0.04 0.04 0.00 3.10 2.87 30 I E B 28.03 21.17 14.87 35.87 112.53 -112.62 -78.63 131.67 8.56 91.35 0.09 5.97 0.61 0.02 0.10 0.01 0.00 11.06 82.22 31 V C C 33.41 13.95 17.86 32.76 115.66 -129.56 -84.51 133.48 94.07 5.83 0.10 93.13 1.54 0.08 0.06 0.03 0.00 4.53 0.64 32 P C C 48.96 8.80 19.46 29.28 113.78 -106.90 -66.72 146.33 93.02 2.84 4.14 89.16 2.91 1.40 2.53 1.20 0.00 1.58 1.22 33 S H G 54.48 12.79 13.01 26.12 92.32 -121.06 -62.15 -26.06 45.55 0.82 53.62 10.28 8.73 26.06 21.54 32.39 0.05 0.42 0.53 34 R H G 172.60 1.85 17.59 19.44 91.67 64.85 -71.97 -18.66 43.70 1.54 54.76 8.63 8.31 25.91 23.67 31.63 0.20 0.81 0.86 35 I H G 75.04 10.12 13.70 24.63 98.99 57.51 -89.93 -8.81 46.52 3.72 49.76 15.40 13.08 19.31 23.98 24.24 0.29 1.81 1.88 36 T C C 46.85 14.91 11.85 26.18 106.37 66.67 -95.13 5.46 71.68 4.00 24.33 37.89 18.12 16.40 18.34 5.13 0.10 1.55 2.47 37 G C S 55.12 2.91 18.37 21.64 98.82 -106.94 81.14 5.27 91.94 2.23 5.83 26.75 45.06 20.84 2.75 2.45 0.01 1.05 1.10 38 T C S 40.23 14.99 10.22 24.97 121.71 113.22 -95.82 151.68 90.53 3.96 5.51 38.82 44.42 7.49 3.54 1.76 0.01 1.55 2.41 39 R C C 129.17 3.51 18.14 21.73 115.74 -104.42 -74.96 151.83 91.31 3.97 4.72 83.63 5.63 1.64 4.13 0.84 0.00 1.34 2.79 40 A H H 65.03 6.92 13.57 22.02 92.43 -113.12 -57.67 -39.00 2.41 0.01 97.58 0.65 0.41 1.12 97.35 0.46 0.00 0.00 0.00 41 K H H 132.84 1.87 19.13 20.43 91.65 54.04 -64.22 -39.80 1.01 0.00 98.98 0.16 0.09 0.63 98.69 0.42 0.00 0.00 0.00 42 Y H H 61.17 11.92 16.95 29.65 92.39 48.34 -66.54 -40.66 0.38 0.00 99.62 0.07 0.03 0.22 99.31 0.36 0.00 0.00 0.00 43 Q H H 34.50 17.09 15.74 32.65 91.84 52.91 -62.79 -42.24 0.13 0.00 99.87 0.02 0.01 0.07 99.83 0.07 0.00 0.00 0.00 44 R H H 128.57 3.53 23.08 26.51 91.58 50.28 -63.93 -41.29 0.13 0.00 99.87 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 45 Q H H 77.56 6.46 22.95 29.64 91.63 49.49 -64.81 -41.82 0.11 0.00 99.89 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 46 L H H 14.03 21.06 18.56 39.46 92.07 49.86 -64.57 -42.14 0.10 0.00 99.90 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 47 A H H 27.37 12.83 21.51 34.71 91.58 51.56 -63.02 -42.28 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 48 R H H 126.82 2.78 26.01 27.98 91.57 49.85 -64.30 -41.74 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 49 A H H 17.79 12.67 21.05 34.83 91.76 50.29 -64.18 -42.54 0.14 0.00 99.86 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 50 I H H 16.15 20.73 19.14 39.46 91.79 49.77 -64.17 -42.87 0.18 0.00 99.82 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 51 K H H 96.67 7.00 23.57 30.84 91.49 50.79 -63.18 -42.02 0.21 0.00 99.79 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 52 R H H 112.44 4.00 23.45 27.27 91.74 49.40 -64.63 -41.60 0.22 0.00 99.78 0.02 0.01 0.15 99.73 0.09 0.00 0.00 0.00 53 A H H 10.82 14.72 15.99 32.28 91.65 50.83 -63.70 -42.08 0.25 0.00 99.75 0.02 0.01 0.17 99.61 0.19 0.00 0.00 0.00 54 R H H 82.65 11.14 16.69 28.41 92.11 50.87 -63.89 -41.14 0.50 0.00 99.50 0.03 0.02 0.40 99.22 0.33 0.00 0.00 0.00 55 Y H H 137.81 3.04 17.13 20.65 92.45 49.16 -66.13 -38.84 1.13 0.00 98.87 0.05 0.04 1.00 98.50 0.40 0.00 0.00 0.00 56 L H H 94.91 4.44 14.80 20.37 93.60 49.64 -74.69 -28.82 8.62 0.01 91.37 0.15 0.25 8.91 89.92 0.74 0.01 0.00 0.01 57 S C T 70.21 5.29 14.69 20.95 97.99 17.71 -88.29 -9.33 61.31 0.03 38.66 0.35 1.11 59.87 37.76 0.87 0.00 0.01 0.02 58 L C T 96.60 5.72 14.70 21.58 98.15 37.58 -87.76 -12.78 80.62 0.23 19.15 3.71 10.06 64.42 20.15 1.36 0.01 0.07 0.21 59 L C S 59.99 10.96 9.67 21.58 117.28 81.81 -97.08 134.97 93.49 1.14 5.37 36.93 50.62 6.10 2.10 3.03 0.00 0.43 0.78 60 P C C 91.64 3.28 14.04 18.42 104.23 -114.16 -67.86 108.05 92.01 0.72 7.27 56.82 18.80 15.73 1.52 6.38 0.00 0.37 0.37 61 Y C C 143.99 5.93 10.77 18.24 109.64 77.46 -92.45 91.76 83.68 5.43 10.89 57.39 12.95 12.51 3.05 8.28 0.00 2.49 3.34 62 T C C 77.54 5.94 9.76 17.36 117.88 116.68 -106.17 136.29 87.76 3.91 8.33 63.41 13.79 10.25 2.73 5.79 0.00 2.24 1.78 63 D C C 109.60 3.02 9.46 14.32 107.76 -150.04 -88.84 89.81 91.18 2.18 6.64 56.75 19.88 14.50 1.77 4.97 0.00 1.23 0.90 64 R C C 165.96 2.55 9.14 13.52 111.58 129.60 -93.89 115.84 96.03 1.11 2.86 85.74 2.78 8.01 0.92 1.42 0.00 0.65 0.48 65 H C C 132.48 4.30 9.94 16.15 113.56 -148.21 -93.07 125.30 99.89 0.07 0.03 99.70 0.14 0.10 0.01 0.00 0.00 0.04 0.01